N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide

C14H12ClFN2O — CID 61293078

IUPACN-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFN2O/c1-9(10-2-4-12(15)5-3-10)18-14(19)11-6-7-17-13(16)8-11/h2-9H,1H3,(H,18,19)
InChIKeyROKQWDZLDWQKDL-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.37
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide

N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide (PubChem CID 61293078) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
PubChem CID61293078
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFN2O/c1-9(10-2-4-12(15)5-3-10)18-14(19)11-6-7-17-13(16)8-11/h2-9H,1H3,(H,18,19)
InChIKeyROKQWDZLDWQKDL-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 61295487
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
CID 130993762
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 115631310
2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide
CID 51257751
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114326268
6-(4-chlorophenyl)-2-(2-fluoro-4-pyridinyl)-N-[1-(2-fluoro-4-pyridinyl)ethyl]pyrimidine-4-carboxamide
CID 175427748

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide (CID 61293078) is N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide is CC(NC(=O)c1ccnc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is ROKQWDZLDWQKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-9(10-2-4-12(15)5-3-10)18-14(19)11-6-7-17-13(16)8-11/h2-9H,1H3,(H,18,19).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 278.71 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61293078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).